Information card for entry 4507097

Structure parameters

• Common name: 4-Hydroxybenzamide : fumaric acid : H2O (2:1:2)
• Formula: C9 H11 N O5
• Calculated formula: C9 H11 N O5
• Title of publication: Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals
• Authors of publication: Tothadi, Srinu; Desiraju, Gautam R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 6188
• a: 7.038 ± 0.008 Å
• b: 7.257 ± 0.008 Å
• c: 10.452 ± 0.01 Å
• α: 97.4 ± 0.04°
• β: 108.96 ± 0.02°
• γ: 97.8 ± 0.04°
• Cell volume: 491.6 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No